Compound Identification
SMILES
CCC1=C2C=C(O)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@@]2(CC)OC(=O)CC[C@H](NC(=O)[C@@H](N)CC2CCCCC2)C(O)=O)C1=O
InChIKey
InChIKey=HQQHJIAJWKUGMA-DWXGIIEHSA-N
Formula
C36H42N4O9
Mass
674.751
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Camptothecins
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Camptothecins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Camptothecins
Alternative Parents
Dipeptides Glutamic acid and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Hydroxyquinolines Pyranopyridines Tricarboxylic acids and derivatives Pyridinones Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Fatty amides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Lactones Amino acids Lactams Carboxylic acids Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Alpha-dipeptide - Alpha peptide - Glutamic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Hydroxyquinoline - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Tricarboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Pyridinone - Benzenoid - Fatty acyl - Pyridine - Fatty amide - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Amino acid - Oxacycle - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).
External Descriptors
Not available